Psychoactive drugs are chemical substances with a distinct physiological effect that changes the function of the brain resulting in a temporary change of perception, mood, consciousness, or behavior. Such substances are often used recreationally, which may consequently lead to mental and/or physical addiction. Psychological addiction is a state of internal coercion for occasional or regular consumption of addictive drugs to create feelings of comfort or to avoid discomfort, and represents a sign of loss of control. Physical dependence is the state of adaptation of the organism to the addictive agent and manifests itself with characteristic disorders of physical and psychological nature at the cessation or significant reduction of the intake of psychoactive substances. There are numerous theories on addiction to psychoactive substances, from biological through socio-cultural to psychological ones. Psychological causes of addiction to psychoactive substances include the cognitive-behavioral theory, the psychodynamic interpretation of addiction, various stressful life events, traumas from early childhood and adolescence, as well as the influence of the family, peers, and the environment on the addict. Although the psychological aspects of addiction are a very important part of a later emergence of addiction to psychoactive substances, by shaping the personality of the addict, very little attention is paid to them in the treatment process. The aim of this work is to briefly consider each of the theories of psychoactive substance dependence, with a particular focus on the psychological aspects, their prevention, and treatment potential. In the end, three recent researches dealing with issues of family influence, stressful life events, and personality traits on later abuse of psychoactive substances are presented.